input word = C00049818

Metabolite InformationStructural formula
Name Malyngamide I acetate
Formula C28H44ClNO6
Mw 525.28571585
CAS RN 69121-74-0
C_ID C00049818 ,
InChIKey PBSMCFLXUIGLJN-JWPJRABONA-N
InChICode InChI=1S/C28H44ClNO6/c1-6-7-8-9-11-14-23(34-5)15-12-10-13-16-26(32)30(4)19-22(18-29)28-25(36-28)17-24(35-21(3)31)20(2)27(28)33/h10,12,18,20,23-25H,6-9,11,13-17,19H2,1-5H3/b12-10+,22-18-/t20-,23+,24-,25+,28+/m1/s1
SMILES [C@@]12([C@H](C[C@H]([C@H](C1=O)C)OC(=O)C)O2)/C(=C\Cl)/CN(C)C(=O)CC/C=C/C[C@H](CCCCCCC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--GracilariaceaeGracilaria coronopifolia Ref.
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OrganismGracilaria coronopifolia
ReferenceKan,J.Nat.Prod.,61,(1998),152